run_ktable_lava.py

#! python3
from multiprocessing import Pool, cpu_count
import os, re, subprocess

cmake_source_dir = '/home/linfel/canoe'
cmake_binary_dir = '/home/linfel/canoe/build'

# file architecture
hitbin  = f"{cmake_binary_dir}/bin/hitbin.release"
rfm     = f"{cmake_binary_dir}/bin/rfm.release"
run_rfm = f"{cmake_binary_dir}/bin/run_rfm.py"
kcoeff  = f"{cmake_binary_dir}/bin/kcoeff.release"
cktable = f"{cmake_binary_dir}/bin/run_cktable.py"

hitran  = ""
hitfile = "/home/linfel/LavaPlanet/co_HITRAN2020/lb_28Si-16O__SiOUVenIR__100-200__296K.par"

# number of threads
max_threads = cpu_count()//2

# ktable specifics
atm     = f"{cmake_source_dir}/data/lava_SiO_atm_isothermal.txt"
#mol     = "CH4 C2H2 C2H4 C2H6"
mol     = "SiO"

# temperature grid
temp    = "-5 5 3"

# flags
generate_tab = True
generate_nc  = True
generate_cktable = False

# continuum absorption
cia     = "H2-H2-eq H2-He-eq"

# spectral bands
band= []
band.append("100 200 0.01")
#band.append("200 400 0.01")
#band.append("400 600 0.01")
#band.append("600 700 0.01")
#band.append("700 860 0.01")
#band.append("860 960 0.01")
#band.append("960 1200 0.01")
#band.append("1200 1400 0.01")
#band.append("1400 1700 0.01")
#band.append("1700 2100 0.01")
#band.append("2100 3450 0.01")
#band.append("3450 4800 0.01")
#band.append("4800 6300 0.01")
#band.append("6300 7800 0.01")
#band.append("7800 9300 0.01")

# number of parallel threads
nthreads = min(max_threads, len(band))

# run ktable in single thread
def RunSingleKtable(wave):
  wname = re.sub(' ', '-', wave)
  print("working on band %s ..." % wname)
  wmin, wmax, dw = map(float, wave.split())
  tab_folder = str(wmin) + "-" + str(wmax)
  kinp = 'kcoeff.inp-'+wname
  kncfile = "kcoeff." + wname +".nc"
  # create tab files and kcoeff.inp
  if generate_tab:
    script = ['python', run_rfm,'--hitbin',hitbin,'--rfm',rfm,'--par',hitran,'--hit',hitfile,
                      '--atm',atm,'--wave',wave,'--temp',temp,
                      '--molecule',mol,'--output',kinp,'--rundir',tab_folder]
    out, err = subprocess.Popen(script,
        stdout = subprocess.PIPE,
        stderr = subprocess.PIPE).communicate()
    print(out.decode(), err.decode())
    #if not ('Successful' in out.decode()):
    #  raise RuntimeError("Error in generating tab files.")

  # run kcoeff
  if generate_nc:
    script = [kcoeff,'-i',kinp,'-o','kcoeff.%s.nc' % wname]
    out, err = subprocess.Popen(script,
        stdout = subprocess.PIPE,
        stderr = subprocess.PIPE).communicate()
    print(out.decode(), err.decode())
    #if err != b'':
    #    raise RuntimeError("Error in generating kcoeff.**.nc.")


  # create correlated-K table
  if generate_cktable:
    script = [cktable,'--kcoeff',kncfile,'--atm',atm,'--cia',cia,'--input', inpfile]
    out, err = subprocess.Popen(script,
        stdout = subprocess.PIPE,
        stderr = subprocess.PIPE).communicate()
    print(out.decode(), err.decode())
  print("band %s finishes." % wave)

if __name__ == '__main__':
# parallel on spectral bands
    pool = Pool(nthreads)
    pool.map(RunSingleKtable, band)